AnalyticalFreq end Basis Core Small Type TZP end NumericalQuality Good QTAIM Enabled Yes End Relativistic Scalar ZORA SOLVATION Surf Delley Solv name=Water cav0=0.0 cav1=0.0067639 Charged method=CONJ C-Mat POT SCF VAR ALL CSMRSP Radii H=1.30 O=1.72 W=1.992 SubEnd end ScanFreq -1000 0 XC GGA PBE end atoms 1 W 13.716454 11.094069 2.548405 2 W 14.125137 8.052505 4.192758 3 W 11.911983 10.241183 5.374412 4 W 9.514670 11.398247 3.284755 5 W 11.321412 8.772460 2.237560 6 O 13.229361 11.770199 0.982326 7 O 13.405855 9.173566 2.212109 8 O 13.846446 6.514557 3.305191 9 O 13.804887 10.146001 4.585728 10 O 14.299432 7.519366 5.894013 11 O 11.608152 10.778614 3.165224 12 O 12.008972 8.434252 4.303972 13 O 10.070444 10.401462 5.179631 14 O 7.784627 11.144627 3.737151 15 O 9.401501 11.809044 1.543624 16 O 9.604138 9.240656 2.740373 17 O 12.325526 11.970185 5.787325 18 O 12.021503 9.449974 6.968685 19 O 11.146712 7.001214 2.090535 20 O 15.822909 8.424021 3.726612 21 O 11.310537 9.247453 0.516368 22 O 15.486842 11.124519 2.391046 23 O 13.544636 12.733197 3.614864 24 O 9.875729 12.999222 4.002673 25 H 13.016531 12.529630 4.465231 end charge -7